5-Bromo-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-benzo[b]thiophen-3-yl)-cyclopent-1-enyl]-1,2-dimethyl-1H-indole | 765936-90-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5-Bromo-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-benzo[b]thiophen-3-yl)-cyclopent-1-enyl]-1,2-dimethyl-1H-indole
• CAS: 765936-90-1
• 化学式: C₂₄H₁₆BrF₆NS
• 分子量: 544.358
• InChiKey: ZZOLPWPVVHPGCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  33.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  4.93
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  5-Bromo-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-benzo[b]thiophen-3-yl)-cyclopent-1-enyl]-1,2-dimethyl-1H-indole 、 4-二苯胺基苯甲醛 、 甲基三苯基碘化膦 在 potassium tert-butylate 、 palladium diacetate 、 三(邻甲基苯基)磷 作用下， 生成 4-[(E)-2-[3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-1-benzothiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindol-5-yl]ethenyl]-N,N-diphenylaniline
  参考文献：
  名称：

  Development of Photochromic Two-Photon Absorption Dyes

  摘要：

  We synthesized three photochromic two-photon absorptive diarylethene derivatives with styrylbenzene unit and measured two-photon absorption cross-sections at 800 nm by using an open aperture Z-scan method with 120 femtosecond pulses. It was found that two of the dyes have large values (delta = 52 GM) equivalent to AF-50.

  DOI：

  10.1080/15421400590946343
• 作为产物：
  描述：

  苯并噻吩 生成 5-Bromo-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-benzo[b]thiophen-3-yl)-cyclopent-1-enyl]-1,2-dimethyl-1H-indole
  参考文献：
  名称：

  Development of Photochromic Two-Photon Absorption Dyes

  摘要：

  We synthesized three photochromic two-photon absorptive diarylethene derivatives with styrylbenzene unit and measured two-photon absorption cross-sections at 800 nm by using an open aperture Z-scan method with 120 femtosecond pulses. It was found that two of the dyes have large values (delta = 52 GM) equivalent to AF-50.

  DOI：

  10.1080/15421400590946343